Acetone → HCID 53823829, compound

HRID 2340379Notes

Reaction equation

HRID 2340379 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH2:20]([CH2:21][CH2:22][CH3:23])[N:24]1[C:25](=[O:35])[O:26][C:27]2([C:28]1=[CH2:29])[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2.[CH3:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][CH2:11][Br:12])[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[I-:43].[K+:40].[K+:41].[K+:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][CH2:11][N:32]2[CH2:31][CH2:30][C:27]3([O:26][C:25](=[O:35])[N:24]([CH2:20][CH2:21][CH2:22][CH3:23])[C:28]3=[CH2:29])[CH2:34][CH2:33]2)[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 11187396HCID 11187396, compoundHCID 53925216HCID 53925216, compound

Product 1

HCID 53823829HCID 53823829, compound

Sources & evidence

ORD record
ord-e5a652f0744140dc81fb2bb638cd45a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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